SB57-0327 Screening compound: 5-[6-(ethylsulfonyl)-2-(4-isopropylbenzyl)-2,6-diazaspiro[3.4]oct-8-yl]-3-methyl-1,2,4-oxadiazole

SB57-0327 Screening compound: 5-[6-(ethylsulfonyl)-2-(4-isopropylbenzyl)-2,6-diazaspiro[3.4]oct-8-yl]-3-methyl-1,2,4-oxadiazole
SB57-0327 Screening compound: 5-[6-(ethylsulfonyl)-2-(4-isopropylbenzyl)-2,6-diazaspiro[3.4]oct-8-yl]-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB57-0327
5-[6-(ethylsulfonyl)-2-(4-isopropylbenzyl)-2,6-diazaspiro[3.4]oct-8-yl]-3-methyl-1,2,4-oxadiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

SB57-0327

Molecular Formula

C21H30N4O3S (C21 H30 N4 O3 S)

Compound Name

5-[6-(ethylsulfonyl)-2-(4-isopropylbenzyl)-2,6-diazaspiro[3.4]oct-8-yl]-3-methyl-1,2,4-oxadiazole

IUPAC name

6-(ethanesulfonyl)-8-(3-methyl-124-oxadiazol-5-yl)-2-{[4-(propan-2-yl)phenyl]methyl}-26-diazaspiro[3.4]octane

SMILES

CCS(N(C1)CC2(CN(Cc3ccc(C(C)C)cc3)C2)C1c1nc(C)no1)(=O)=O

InChI

InChI=1S/C21H30N4O3S/c1-5-29(26,27)25-11-19(20-22-16(4)23-28-20)21(14-25)12-24(13-21)10-17-6-8-18(9-7-17)15(2)3/h6-9,15,19H,5,10-14H2,1-4H3/t19-/m0/s1

InChI Key

AILIBNHWCLTKML-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32248916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

-0.644

Water Solubility, LogSw

-3.18

Polar Surface Area

67.297

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SB57-0327 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB57-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB57-0327?
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What is the minimum amount of SB57-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB57-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB57-0327
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of SB57-0327 available by request